U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H6F3NO2
Molecular Weight 241.166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXYLIC ACID

SMILES

OC(=O)C1=CC=C2C=C(C=CC2=N1)C(F)(F)F

InChI

InChIKey=LSVFVSVUKCIBHC-UHFFFAOYSA-N
InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-4-8-6(5-7)1-3-9(15-8)10(16)17/h1-5H,(H,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
TORCETRAPIB METABOLITE M4
Preferred Name English
6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXYLIC ACID
Systematic Name English
2-QUINOLINECARBOXYLIC ACID, 6-(TRIFLUOROMETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40457312
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY
CAS
849818-58-2
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY
FDA UNII
AP914NOO4G
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY
PUBCHEM
11160820
Created by admin on Wed Apr 02 08:13:26 GMT 2025 , Edited by admin on Wed Apr 02 08:13:26 GMT 2025
PRIMARY